1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

C12H23N3O4S — CID 62213043

IUPAC1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)C2CCCCO2)C1
InChIInChI=1S/C12H23N3O4S/c13-20(17,18)14-8-10-4-3-6-15(9-10)12(16)11-5-1-2-7-19-11/h10-11,14H,1-9H2,(H2,13,17,18)
InChIKeyKBGQLQLIJAWRRH-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.41
Rot. Bonds4

About 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 62213043) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID62213043
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)C2CCCCO2)C1
InChIInChI=1S/C12H23N3O4S/c13-20(17,18)14-8-10-4-3-6-15(9-10)12(16)11-5-1-2-7-19-11/h10-11,14H,1-9H2,(H2,13,17,18)
InChIKeyKBGQLQLIJAWRRH-UHFFFAOYSA-N
XLogP-0.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
[3-(2-chloroethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 63395711
(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine
CID 100907653
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103855486
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605

Frequently Asked Questions

What is the IUPAC name of 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 62213043) is 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(C(=O)C2CCCCO2)C1.
What is the InChIKey of 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is KBGQLQLIJAWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c13-20(17,18)14-8-10-4-3-6-15(9-10)12(16)11-5-1-2-7-19-11/h10-11,14H,1-9H2,(H2,13,17,18).
What are the key properties of 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 305.40 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 62213043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).